3U45
Human Carbonic Anhydrase II V143A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2011-06-06 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.250, 41.593, 72.260 |
| Unit cell angles | 90.00, 104.44, 90.00 |
Refinement procedure
| Resolution | 23.819 - 1.699 |
| R-factor | 0.174 |
| Rwork | 0.159 |
| R-free | 0.19140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tbt |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.095 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.7_650) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.760 |
| High resolution limit [Å] | 1.699 | 3.660 | 1.700 |
| Rmerge | 0.032 | 0.094 | |
| Number of reflections | 25901 | ||
| <I/σ(I)> | 30 | ||
| Completeness [%] | 96.7 | 93.5 | 98.1 |
| Redundancy | 3.3 | 3.4 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 1.4 M Sodium Citrate 50 mM Tris pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
